2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide

C12H21N3O2 — CID 106370930

IUPAC2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide
SMILESCCc1cnc(CNC(=O)C(C)(CC)CN)o1
InChIInChI=1S/C12H21N3O2/c1-4-9-6-14-10(17-9)7-15-11(16)12(3,5-2)8-13/h6H,4-5,7-8,13H2,1-3H3,(H,15,16)
InChIKeyUMHXSMTZIXCMGI-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.23
Rot. Bonds6

About 2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide

2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide (PubChem CID 106370930) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide
PubChem CID106370930
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide
SMILESCCc1cnc(CNC(=O)C(C)(CC)CN)o1
InChIInChI=1S/C12H21N3O2/c1-4-9-6-14-10(17-9)7-15-11(16)12(3,5-2)8-13/h6H,4-5,7-8,13H2,1-3H3,(H,15,16)
InChIKeyUMHXSMTZIXCMGI-UHFFFAOYSA-N
XLogP1.23
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[5-(propan-2-yl)-1,3-oxazol-2-yl]methyl}-N-(pyrrolidin-3-yl)acetamide
CID 71873201
[5-(Propan-2-yl)-1,3-oxazol-2-yl]methanamine
CID 54594018
(5-Ethyl-1,3-oxazol-2-yl)methanamine
CID 65180193
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide hydrochloride
CID 71756632
2-(2-Methyl-1,3-oxazol-5-yl)ethan-1-amine dihydrochloride
CID 137964433
((5-Cyclopropyl-1,3-oxazol-2-yl)methyl)(methyl)amine dihydrochloride
CID 146050201
5-Tert-butyl-2-methyl-1,3-oxazole
CID 12639617
2,5-Ditert-butyl-1,3-oxazole
CID 12639618
5-Tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377165
[(5-Cyclopropyl-1,3-oxazol-2-yl)methyl](methyl)amine
CID 65178506
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
CID 71756633

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide (CID 106370930) is 2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide is CCc1cnc(CNC(=O)C(C)(CC)CN)o1.
What is the InChIKey of 2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide?
The InChIKey is UMHXSMTZIXCMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-9-6-14-10(17-9)7-15-11(16)12(3,5-2)8-13/h6H,4-5,7-8,13H2,1-3H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide?
2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide has a molecular weight of 239.32 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide is sourced from PubChem (CID 106370930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).